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2-(5-(4-(4-BROMOPHENYLSULFONYL)-PHENYL)-2H-1,2,4-TRIAZOL-3-YLTHIO)-1-(4-FLUOROPHENYL)-ETHANONE
SpectraBase Compound ID E9UTVUz6Csv
InChI InChI=1S/C22H15BrFN3O3S2/c23-16-5-11-19(12-6-16)32(29,30)18-9-3-15(4-10-18)21-25-22(27-26-21)31-13-20(28)14-1-7-17(24)8-2-14/h1-12H,13H2,(H,25,26,27)
InChIKey XJRJUWOXNLTRTN-UHFFFAOYSA-N
Mol Weight 532.4 g/mol
Molecular Formula C22H15BrFN3O3S2
Exact Mass 530.972225 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JsM6N2mibJ
Name 2-(5-(4-(4-BROMOPHENYLSULFONYL)-PHENYL)-2H-1,2,4-TRIAZOL-3-YLTHIO)-1-(4-FLUOROPHENYL)-ETHANONE
Compound Number 2 C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H15BrFN3O3S2
InChI InChI=1S/C22H15BrFN3O3S2/c23-16-5-11-19(12-6-16)32(29,30)18-9-3-15(4-10-18)21-25-22(27-26-21)31-13-20(28)14-1-7-17(24)8-2-14/h1-12H,13H2,(H,25,26,27)
InChIKey XJRJUWOXNLTRTN-UHFFFAOYSA-N
Literature Reference Author S.F.BARBUCEANU,C.DRAGHICI,F.BARBUCEANU,G.BANCESCU,G.SARAMET
Literature Reference Citation CHEM.PHARM.BULL.,63,694(2015)
Literature Reference DOI 10.1248/cpb.c15-00379
Molecular Weight 532.402 g/mol
Solvent DMSO-D6
Source File Reference UWPA10115